Journal
RSC ADVANCES
Volume 3, Issue 46, Pages 24075-24080Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c3ra42720j
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Funding
- Fundamental Research Funds for the Central Universities
- NSFC [11074196]
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We have performed density-functional-theory calculations to study the electronic and magnetic properties of edge-hydrogenated and edge-doped zigzag silicene nanoribbons (ZSiNRs). The formation energies of monohydrogenated and dihydrogenated edges slightly depend on the width of ZSiNRs, whereas the electronic and magnetic properties of ZSiNRs can be tuned by the different forms of edge hydrogenation. The dihydrogenated edges can effectively stabilize the antiferromagnetic semiconducting ground state of ZSiNRs. Moreover, nitrogen- or phosphorus-doped monohydrogenated ZSiNR is a magnetic semiconductor, and becomes a half-metal under a transverse electric field. Owing to the compelling electronic and magnetic properties, silicene nanoribbons hold great promise for application in nanodevices.
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